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Found 1435 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I Epsilon'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274761
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc5cccnc5c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(18-7-9-20(28)10-8-18)26(34(16)2)21-11-12-24-31-23(15-35(24)33-21)32-27(36)19-6-5-17-4-3-13-29-22(17)14-19/h3-15H,1-2H3,(H,32,36)
PDB

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n/an/a 2.58n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274762
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1c[nH]c(c1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN7O/c1-13-10-18(25-11-13)23(32)28-19-12-31-20(27-19)9-8-17(29-31)22-21(26-14(2)30(22)3)15-4-6-16(24)7-5-15/h4-12,25H,1-3H3,(H,28,32)
PDB

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n/an/a 0.768n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274763
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc5cnccc5c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(17-5-7-21(28)8-6-17)26(34(16)2)22-9-10-24-31-23(15-35(24)33-22)32-27(36)19-3-4-20-14-29-12-11-18(20)13-19/h3-15H,1-2H3,(H,32,36)
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n/an/a 1.61n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274764
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4snnc4-c4ccccc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H19FN8OS/c1-15-28-22(17-8-10-18(27)11-9-17)24(34(15)2)19-12-13-21-29-20(14-35(21)32-19)30-26(36)25-23(31-33-37-25)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,30,36)
PDB

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n/an/a 6.28n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274765
PNG
(4-fluoro-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc5c(F)cccc5[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H19F2N7O/c1-14-29-24(15-6-8-16(27)9-7-15)25(34(14)2)20-10-11-23-31-22(13-35(23)33-20)32-26(36)21-12-17-18(28)4-3-5-19(17)30-21/h3-13,30H,1-2H3,(H,32,36)
PDB

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n/an/a 8.85n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274766
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4c[nH]c5ccccc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H20FN7O/c1-15-29-24(16-7-9-17(27)10-8-16)25(33(15)2)21-11-12-23-30-22(14-34(23)32-21)31-26(35)19-13-28-20-6-4-3-5-18(19)20/h3-14,28H,1-2H3,(H,31,35)
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n/an/a 4.89n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274767
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4c[nH]c5ncccc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN8O/c1-14-29-22(15-5-7-16(26)8-6-15)23(33(14)2)19-9-10-21-30-20(13-34(21)32-19)31-25(35)18-12-28-24-17(18)4-3-11-27-24/h3-13H,1-2H3,(H,27,28)(H,31,35)
PDB

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n/an/a 2.17n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274768
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccc5cccnc45)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(18-8-10-19(28)11-9-18)26(34(16)2)21-12-13-23-31-22(15-35(23)33-21)32-27(36)20-7-3-5-17-6-4-14-29-24(17)20/h3-15H,1-2H3,(H,32,36)
PDB

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n/an/a 113n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274769
PNG
(4,6-dichloro-N-(6-(4-(4- fluorophenyl)-1,2-dimethy...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc5cc(Cl)cc(Cl)c5[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H18Cl2FN7O/c1-13-30-24(14-3-5-17(29)6-4-14)25(35(13)2)19-7-8-22-32-21(12-36(22)34-19)33-26(37)20-10-15-9-16(27)11-18(28)23(15)31-20/h3-12,31H,1-2H3,(H,33,37)
PDB

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n/an/a 16.3n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274770
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)C4CCN(CC4)c4ccncc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27FN8O/c1-18-31-26(19-3-5-21(29)6-4-19)27(35(18)2)23-7-8-25-32-24(17-37(25)34-23)33-28(38)20-11-15-36(16-12-20)22-9-13-30-14-10-22/h3-10,13-14,17,20H,11-12,15-16H2,1-2H3,(H,33,38)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274771
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H22FN7O2/c1-15-29-25(16-7-9-17(28)10-8-16)26(34(15)2)20-11-12-24-31-23(14-35(24)33-20)32-27(36)21-13-18-19(30-21)5-4-6-22(18)37-3/h4-14,30H,1-3H3,(H,32,36)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274772
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cc[nH]c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O/c1-13-25-20(14-3-5-16(23)6-4-14)21(29(13)2)17-7-8-19-26-18(12-30(19)28-17)27-22(31)15-9-10-24-11-15/h3-12,24H,1-2H3,(H,27,31)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274773
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1cc([nH]n1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-12-10-17(28-27-12)22(32)26-18-11-31-19(25-18)9-8-16(29-31)21-20(24-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,26,32)(H,27,28)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274774
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cncnc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN8O/c1-13-26-20(14-3-5-16(23)6-4-14)21(30(13)2)17-7-8-19-27-18(11-31(19)29-17)28-22(32)15-9-24-12-25-10-15/h3-12H,1-2H3,(H,28,32)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274775
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nnsc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN8OS/c1-11-20(32-28-26-11)21(31)25-16-10-30-17(24-16)9-8-15(27-30)19-18(23-12(2)29(19)3)13-4-6-14(22)7-5-13/h4-10H,1-3H3,(H,25,31)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274776
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnn4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-15(23)7-5-14)21(29(13)2)16-8-9-19-26-18(12-31(19)28-16)27-22(32)17-10-11-24-30(17)3/h4-12H,1-3H3,(H,27,32)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274777
PNG
(1-acetyl-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES CC(=O)N1CCCC1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN7O2/c1-14-26-22(16-6-8-17(25)9-7-16)23(30(14)3)18-10-11-21-27-20(13-32(21)29-18)28-24(34)19-5-4-12-31(19)15(2)33/h6-11,13,19H,4-5,12H2,1-3H3,(H,28,34)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274778
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccn(C)n4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-24-20(14-4-6-15(23)7-5-14)21(30(13)3)16-8-9-19-25-18(12-31(19)28-16)26-22(32)17-10-11-29(2)27-17/h4-12H,1-3H3,(H,26,32)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274779
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cocn4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O2/c1-12-24-19(13-3-5-14(22)6-4-13)20(28(12)2)15-7-8-18-25-17(9-29(18)27-15)26-21(30)16-10-31-11-23-16/h3-11H,1-2H3,(H,26,30)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274780
PNG
(4-cyano-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1H...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(cc4)[N+]#[C-])cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C25H18FN7O/c1-15-28-23(16-4-8-18(26)9-5-16)24(32(15)3)20-12-13-22-29-21(14-33(22)31-20)30-25(34)17-6-10-19(27-2)11-7-17/h4-14H,1,3H3,(H,30,34)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274781
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cccn4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN7O/c1-14-25-21(15-6-8-16(24)9-7-15)22(30(14)3)17-10-11-20-26-19(13-31(20)28-17)27-23(32)18-5-4-12-29(18)2/h4-13H,1-3H3,(H,27,32)
PDB

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n/an/a 17.6n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274782
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc[nH]4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O/c1-13-25-20(14-5-7-15(23)8-6-14)21(29(13)2)16-9-10-19-26-18(12-30(19)28-16)27-22(31)17-4-3-11-24-17/h3-12,24H,1-2H3,(H,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274783
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cnn(C)c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-16(23)7-5-14)21(30(13)3)17-8-9-19-26-18(12-31(19)28-17)27-22(32)15-10-24-29(2)11-15/h4-12H,1-3H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274784
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cncn4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-15(23)7-5-14)21(30(13)3)16-8-9-19-26-18(11-31(19)28-16)27-22(32)17-10-24-12-29(17)2/h4-12H,1-3H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274785
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nocc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O2/c1-12-16(11-32-28-12)22(31)26-18-10-30-19(25-18)9-8-17(27-30)21-20(24-13(2)29(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,26,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274786
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cn(C)cn4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN8O/c1-13-25-20(14-4-6-15(23)7-5-14)21(30(13)3)16-8-9-19-26-18(11-31(19)28-16)27-22(32)17-10-29(2)12-24-17/h4-12H,1-3H3,(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274777
PNG
(1-acetyl-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES CC(=O)N1CCCC1C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN7O2/c1-14-26-22(16-6-8-17(25)9-7-16)23(30(14)3)18-10-11-21-27-20(13-32(21)29-18)28-24(34)19-5-4-12-31(19)15(2)33/h6-11,13,19H,4-5,12H2,1-3H3,(H,28,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274788
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cn[nH]c4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN8O/c1-12-25-19(13-3-5-15(22)6-4-13)20(29(12)2)16-7-8-18-26-17(11-30(18)28-16)27-21(31)14-9-23-24-10-14/h3-11H,1-2H3,(H,23,24)(H,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274789
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4cnoc4C)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN7O2/c1-12-16(10-24-32-12)22(31)27-18-11-30-19(26-18)9-8-17(28-30)21-20(25-13(2)29(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274790
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)C4CCC(=O)N4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN7O2/c1-12-24-20(13-3-5-14(23)6-4-13)21(29(12)2)15-7-9-18-26-17(11-30(18)28-15)27-22(32)16-8-10-19(31)25-16/h3-7,9,11,16H,8,10H2,1-2H3,(H,25,31)(H,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274791
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nnc(o1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN8O2/c1-11-23-18(13-4-6-14(22)7-5-13)19(29(11)3)15-8-9-17-24-16(10-30(17)28-15)25-20(31)21-27-26-12(2)32-21/h4-10H,1-3H3,(H,25,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274792
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4nc[nH]n4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN9O/c1-11-24-17(12-3-5-13(21)6-4-12)18(29(11)2)14-7-8-16-25-15(9-30(16)28-14)26-20(31)19-22-10-23-27-19/h3-10H,1-2H3,(H,26,31)(H,22,23,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274793
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1cc(nn1C)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN8O/c1-13-11-18(28-31(13)4)23(33)27-19-12-32-20(26-19)10-9-17(29-32)22-21(25-14(2)30(22)3)15-5-7-16(24)8-6-15/h5-12H,1-4H3,(H,27,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274696
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)- 1-(3-(2-methyl-...)
Show SMILES Cc1nccn1CCCn1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N9O/c1-18-31-11-14-37(18)12-2-13-38-17-33-26(19-3-5-21(29)6-4-19)27(38)22-7-8-25-34-24(16-39(25)36-22)35-28(40)20-9-10-32-23(30)15-20/h3-11,14-17H,2,12-13H2,1H3,(H,35,40)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274697
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)- 1-(2-(2-oxo-1-p...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCCC2=O)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
Show InChI InChI=1S/C27H22F2N8O2/c28-19-5-3-17(4-6-19)25-26(36(16-31-25)13-12-35-11-1-2-24(35)38)20-7-8-23-32-22(15-37(23)34-20)33-27(39)18-9-10-30-21(29)14-18/h3-10,14-16H,1-2,11-13H2,(H,33,39)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274698
PNG
(N-(6-(4-(4-Fluorophenyl)-1-propyl-1H-imidazol-5-yl...)
Show SMILES CCCn1cnc(c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN6O/c1-5-12-29-14-25-20(15-6-8-16(24)9-7-15)21(29)17-10-11-19-26-18(13-30(19)28-17)27-22(31)23(2,3)4/h6-11,13-14H,5,12H2,1-4H3,(H,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274699
PNG
(N-(6-(4-(4-fluorophenyl)-1-(2-hydroxyethyl)- 1H-im...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1CCO)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN6O2/c1-22(2,3)21(31)26-17-12-29-18(25-17)9-8-16(27-29)20-19(24-13-28(20)10-11-30)14-4-6-15(23)7-5-14/h4-9,12-13,30H,10-11H2,1-3H3,(H,26,31)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274700
PNG
(N-(6-(1-benzyl-4-(4-fluorophenyl)-1H- imidazol-5-y...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1Cc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN6O/c1-27(2,3)26(35)31-22-16-34-23(30-22)14-13-21(32-34)25-24(19-9-11-20(28)12-10-19)29-17-33(25)15-18-7-5-4-6-8-18/h4-14,16-17H,15H2,1-3H3,(H,31,35)
PDB

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Bristol-Myers Squibb Company

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Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274701
PNG
(N-(6-(4-(4-fluorophenyl)-1H-imidazol-5- yl)imidazo...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1[nH]cnc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-20(2,3)19(28)25-15-10-27-16(24-15)9-8-14(26-27)18-17(22-11-23-18)12-4-6-13(21)7-5-12/h4-11H,1-3H3,(H,22,23)(H,25,28)
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Bristol-Myers Squibb Company

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Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274702
PNG
(N-(6-(4-(4-fluorophenyl)-1-((5-oxo- pyrrolidin-3-y...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1CC1CNC(=O)C1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN7O2/c1-25(2,3)24(35)30-19-13-33-20(29-19)9-8-18(31-33)23-22(16-4-6-17(26)7-5-16)28-14-32(23)12-15-10-21(34)27-11-15/h4-9,13-15H,10-12H2,1-3H3,(H,27,34)(H,30,35)
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Bristol-Myers Squibb Company

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Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274703
PNG
(N-(6-(4-(4-fluorophenyl)-1-((5-methyl- isoxazol-3-...)
Show SMILES Cc1cc(Cn2cnc(c2-c2ccc3nc(NC(=O)C(C)(C)C)cn3n2)-c2ccc(F)cc2)no1
Show InChI InChI=1S/C25H24FN7O2/c1-15-11-18(31-35-15)12-32-14-27-22(16-5-7-17(26)8-6-16)23(32)19-9-10-21-28-20(13-33(21)30-19)29-24(34)25(2,3)4/h5-11,13-14H,12H2,1-4H3,(H,29,34)
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Bristol-Myers Squibb Company

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Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274704
PNG
(N-(6-(4-(4-fluorophenyl)-1-(furan-3- ylmethyl)-1H-...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1Cc1ccoc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN6O2/c1-25(2,3)24(33)29-20-13-32-21(28-20)9-8-19(30-32)23-22(17-4-6-18(26)7-5-17)27-15-31(23)12-16-10-11-34-14-16/h4-11,13-15H,12H2,1-3H3,(H,29,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274705
PNG
(N-(6-(4-(4-fluorophenyl)-1-(2-methoxy- ethyl)-1H-i...)
Show SMILES COCCn1cnc(c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN6O2/c1-23(2,3)22(31)27-18-13-30-19(26-18)10-9-17(28-30)21-20(15-5-7-16(24)8-6-15)25-14-29(21)11-12-32-4/h5-10,13-14H,11-12H2,1-4H3,(H,27,31)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274706
PNG
(N-(6-(4-(4-fluorophenyl)-1-(pyridin-3- ylmethyl)-1...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1Cc1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN7O/c1-26(2,3)25(35)31-21-15-34-22(30-21)11-10-20(32-34)24-23(18-6-8-19(27)9-7-18)29-16-33(24)14-17-5-4-12-28-13-17/h4-13,15-16H,14H2,1-3H3,(H,31,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274707
PNG
(N-(6-(4-(4-fluorophenyl)-1-(2-(pyridin-3- yl)ethyl...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1CCc1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN7O/c1-27(2,3)26(36)32-22-16-35-23(31-22)11-10-21(33-35)25-24(19-6-8-20(28)9-7-19)30-17-34(25)14-12-18-5-4-13-29-15-18/h4-11,13,15-17H,12,14H2,1-3H3,(H,32,36)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274708
PNG
(N-(6-(4-(4-fluorophenyl)-1-methyl-1H- imidazol-5-y...)
Show SMILES Cn1cnc(c1-c1ccc2nc(NC(=O)C(C)(C)C)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN6O/c1-21(2,3)20(29)25-16-11-28-17(24-16)10-9-15(26-28)19-18(23-12-27(19)4)13-5-7-14(22)8-6-13/h5-12H,1-4H3,(H,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274709
PNG
(N-(6-(1-(2,2-Difluoroethyl)-4-(4-fluorophenyl)-2-m...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C24H17F4N7O/c1-13-30-22(14-2-4-16(25)5-3-14)23(34(13)11-18(26)27)17-6-7-21-31-20(12-35(21)33-17)32-24(36)15-8-9-29-19(28)10-15/h2-10,12,18H,11H2,1H3,(H,32,36)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274710
PNG
(N-(6-2-cyclopropyl-1-(2,2-difluoro- ethyl)-4-(4-fl...)
Show SMILES CCc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19F4N7O/c1-2-21-33-23(14-3-5-16(26)6-4-14)24(35(21)12-18(27)28)17-7-8-22-31-20(13-36(22)34-17)32-25(37)15-9-10-30-19(29)11-15/h3-11,13,18H,2,12H2,1H3,(H,32,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274711
PNG
(N-(6-(1-(2,2-difluoroethyl)-2-ethyl- 4-(4-fluoroph...)
Show SMILES FC(F)Cn1c(nc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1)C1CC1
Show InChI InChI=1S/C26H19F4N7O/c27-17-5-3-14(4-6-17)23-24(36(12-19(28)29)25(34-23)15-1-2-15)18-7-8-22-32-21(13-37(22)35-18)33-26(38)16-9-10-31-20(30)11-16/h3-11,13,15,19H,1-2,12H2,(H,33,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274712
PNG
(N-(6-(1-(2,2-difluoroethyl)-4-(4- fluorophenyl)-2-...)
Show SMILES CC(F)Cn1c(nc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C27H24F3N7O/c1-15(2)26-34-24(17-4-6-19(29)7-5-17)25(36(26)13-16(3)28)20-8-9-23-32-22(14-37(23)35-20)33-27(38)18-10-11-31-21(30)12-18/h4-12,14-16H,13H2,1-3H3,(H,33,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9556179 (2017)

More data for this
Ligand-Target Pair
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